SCHEMBL7698442

SCHEMBL7698442

O=C(O)Nc1cc(N2CCOC2=O)c(-c2ccc(F)cc2)cc1NC(=O)CC(=O)c1cccc(-c2ncc[nH]2)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.36
VCP P55072 11/20 0.35
HCRTR1 O43613 1/20 0.34
ELOVL6 Q9H5J4 1/20 0.34
MAP3K5 Q99683 1/20 0.33
MAPK14 Q16539 1/20 0.33
FAAH O00519 1/20 0.32
NAAA Q02083 1/20 0.32
CMA1 P23946 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7703166 0.90 VCP (0.34) CCR3VCPHCRTR1ELOVL6
SCHEMBL7698696 0.81 VCP (0.41) CCR3VCPMAP3K5MAPK14
SCHEMBL7703665 0.78 VCP (0.36) CCR3VCPHCRTR1
SCHEMBL7702841 0.77 VCP (0.42) VCP
SCHEMBL7703659 0.72 UCHL1 (0.36) CCR3VCPHCRTR1
SCHEMBL7699300 0.71 VCP (0.45) VCPMAPK14
SCHEMBL7700580 0.70 VCP (0.40) VCP
SCHEMBL7703510 0.69 VCP (0.41) VCP
SCHEMBL6610284 0.69 VCP (0.39) VCP
SCHEMBL7704382 0.69 VCP (0.37) VCPELOVL6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed